Climate changes, environmental pollution and resource depletion are one of the numerous major problems humanity faces. United Nations sustainable development goals are aimed at solving these problems. The requirement for affordable, renewable, sustainable, biodegradable and environmentally friendly fossil fuel alternative sources is prompted by the development and advancement of biofuel production technologies. Of the various biofuel alternatives, biobutanol has increased the interests of researchers due to its desirable characteristics such as hydrophobicity, relatively high heating value and energy density, relatively low vapour pressure, etc. Nowadays, sustainable production of the biobutanol depends on the used feedstock source and its pre-treatment method, selected enhancing microorganism strain, acetone–butanol–ethanol fermentation effectiveness and titer of biobutanol. The main research challenges in biobutanol production are an improvement of production efficiency and increasing the financial viability of the technology. This review summarizes the latest results of lignocellulosic components content and fermentable sugars composition in different agro-industrial residues; biobutanol production depending on the Clostridium enhancing strategy, process optimization and selection of substrate. Such analysis provides a better perception of the capability of using agro-industrial residues for biobutanol production efficiency.